3,5-Dimethoxybenzyl bromide

C₉H₁₁BrO₂CAS 877-88-3231.09 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₉H₁₁BrO₂
Molar mass: 231.09 g/mol
Exact mass: 229.9942 Da
Melting point: 71–72 °C
logP: 2.60Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

877-88-3

SMILES

COc1cc(CBr)cc(OC)c1

InChIKey

BTHIGJGJAPYFSJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H11BrO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Benzene, 1-(bromomethyl)-3,5-dimethoxy-
Toluene, α-bromo-3,5-dimethoxy-
1-(Bromomethyl)-3,5-dimethoxybenzene
5-(Bromomethyl)-1,3-dimethoxybenzene
α-Bromo-3,5-dimethoxytoluene

Work with 3,5-Dimethoxybenzyl bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methoxybenzyl bromide874-98-664 % similar 4-Methoxybenzyl bromide2746-25-062 % similar 1,3,5-Trimethoxybenzene621-23-857 % similar (3,5-Dimethoxyphenyl)methanamine34967-24-356 % similar 3,5-Dimethoxybenzyl chloride6652-32-056 % similar 3,5-Dimethoxybenzenemethanol705-76-056 % similar 3,5-Dimethoxyphenylacetonitrile13388-75-550 % similar 1,3,5-Tris(bromomethyl)benzene18226-42-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromobenzaldehyde dimethyl acetal24856-58-4 1-(2-Bromoethoxy)-2-methoxybenzene4463-59-6 (S)-1-(3-Bromo-2-methoxyphenyl)ethan-1-ol952103-45-6

Elsewhere

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